3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C63H41N5 — CID 164799955

About 3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 164799955) has the molecular formula C63H41N5 and a molecular weight of 868.06 g/mol. Its IUPAC name is 3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 164799955
• Molecular Formula: C63H41N5
• Molecular Weight: 868.06 g/mol
• Exact Mass: 867.34
• IUPAC Name: 3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccc(-c7ccccc7)cc6c6ccc7c8cc(-c9ccccc9)ccc8n(-c8ccccc8)c7c65)n4)cc3)c2)cc1
• InChI: InChI=1S/C63H41N5/c1-6-17-42(18-7-1)48-25-16-26-49(39-48)45-29-31-47(32-30-45)62-64-61(46-23-12-4-13-24-46)65-63(66-62)68-58-38-34-51(44-21-10-3-11-22-44)41-56(58)54-36-35-53-55-40-50(43-19-8-2-9-20-43)33-37-57(55)67(59(53)60(54)68)52-27-14-5-15-28-52/h1-41H
• InChIKey: HVJLNRSBPCKKKH-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.06
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 164799955) is 3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

What is the SMILES notation for 3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The canonical SMILES for 3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccc(-c7ccccc7)cc6c6ccc7c8cc(-c9ccccc9)ccc8n(-c8ccccc8)c7c65)n4)cc3)c2)cc1.

What is the InChIKey of 3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The InChIKey is HVJLNRSBPCKKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5/c1-6-17-42(18-7-1)48-25-16-26-49(39-48)45-29-31-47(32-30-45)62-64-61(46-23-12-4-13-24-46)65-63(66-62)68-58-38-34-51(44-21-10-3-11-22-44)41-56(58)54-36-35-53-55-40-50(43-19-8-2-9-20-43)33-37-57(55)67(59(53)60(54)68)52-27-14-5-15-28-52/h1-41H.

What are the key properties of 3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 868.06 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 164799955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).